SCHEMBL12176578

SCHEMBL12176578

Cc1ccc(C(=O)N2CCC[C@H](C(=O)Nc3cccc(C(C)(C)C)c3)[C@@H]2c2ccccc2)c(F)c1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.44
▸ PREP P48147 1/20 0.42
▸ EPHX2 P34913 1/20 0.41
▸ GAA P10253 2/20 0.40
▸ RXFP1 Q9HBX9 1/20 0.40
▸ ACKR3 P25106 1/20 0.39
▸ NPSR1 Q6W5P4 2/20 0.39
▸ TSHR P16473 1/20 0.39
▸ TP53 P04637 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ PRMT5 O14744 2/20 0.38
▸ WDR77 Q9BQA1 2/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ ACSS2 Q9NR19 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ GLA P06280 1/20 0.37
▸ GRIK1 P39086 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12176097 0.92 PREP (0.43) ALDH1A1PREPRXFP1NPSR1HSD17B10
SCHEMBL18609269 0.92 ALDH1A1 (0.46) ALDH1A1EPHX2GAARXFP1ACKR3
SCHEMBL13059992 0.92 ALDH1A1 (0.46) ALDH1A1EPHX2GAARXFP1ACKR3
SCHEMBL18789915 0.92 ALDH1A1 (0.46) ALDH1A1EPHX2GAARXFP1ACKR3
SCHEMBL14959054 0.92 ALDH1A1 (0.46) ALDH1A1EPHX2GAARXFP1ACKR3
SCHEMBL12176053 0.91 PREP (0.42) ALDH1A1PREPRXFP1ACKR3NPSR1
SCHEMBL15088232 0.90 NPSR1 (0.46) ALDH1A1PREPRXFP1NPSR1TSHR
SCHEMBL12176050 0.89 HSD17B10 (0.44) ALDH1A1PREPEPHX2RXFP1ACKR3
SCHEMBL13060070 0.89 RXFP1 (0.42) ALDH1A1PREPGAARXFP1ACKR3
SCHEMBL15088270 0.89 ALDH1A1 (0.42) ALDH1A1EPHX2GAARXFP1NPSR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170114017-A1 C5AR ANTAGONISTS CHEMOCENTRYX, INC. 2017-04-27 — — US disclosed
US-9573897-B2 C5AR antagonists CHEMOCENTRYX, INC. (US) 2017-02-21 — — US disclosed
US-20160229802-A1 C5AR ANTAGONISTS CHEMOCENTRYX, INC. 2016-08-11 — — US disclosed
US-9126939-B2 C5AR antagonists CHEMOCENTRYX, INC. 2015-09-08 — — US disclosed
US-20130172347-A1 C5AR ANTAGONISTS CHEMOCENTRYX, INC. 2013-07-04 — — US disclosed
US-20110275639-A1 C5aR ANTAGONISTS CHEMOCENTRYX, INC. (US) 2011-11-10 — — US disclosed
US-20100311753-A1 C5aR ANTAGONISTS CHEMOCENTRYX, INC. (US) 2010-12-09 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110275639-A1 C5aR ANTAGONISTS C5AR1, C5AR2, C3AR1 ALDH1A1 2966/4885PREP 597/4885EPHX2 1684/4885
US-20170114017-A1 C5AR ANTAGONISTS C5AR1, C5AR2, C3AR1 ALDH1A1 2966/4885PREP 597/4885EPHX2 1684/4885
US-20160229802-A1 C5AR ANTAGONISTS C5AR1, C5AR2, C3AR1 ALDH1A1 2966/4885PREP 597/4885EPHX2 1684/4885
US-20100311753-A1 C5aR ANTAGONISTS C5AR1, C5AR2, C3AR1 ALDH1A1 2966/4885PREP 597/4885EPHX2 1684/4885
US-20130172347-A1 C5AR ANTAGONISTS C5AR1, C5AR2, C3AR1 ALDH1A1 2966/4885PREP 597/4885EPHX2 1684/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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